1-hydroxy-3-prop-2-enylindazole

C10H10N2O — CID 141361641

IUPAC1-hydroxy-3-prop-2-enylindazole
SMILESC=CCc1nn(O)c2ccccc12
InChIInChI=1S/C10H10N2O/c1-2-5-9-8-6-3-4-7-10(8)12(13)11-9/h2-4,6-7,13H,1,5H2
InChIKeyFLWAFMHCWCFZLL-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.00
Rot. Bonds2

About 1-hydroxy-3-prop-2-enylindazole

1-hydroxy-3-prop-2-enylindazole (PubChem CID 141361641) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-hydroxy-3-prop-2-enylindazole.

Molecular Properties

Compound Name1-hydroxy-3-prop-2-enylindazole
PubChem CID141361641
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-hydroxy-3-prop-2-enylindazole
SMILESC=CCc1nn(O)c2ccccc12
InChIInChI=1S/C10H10N2O/c1-2-5-9-8-6-3-4-7-10(8)12(13)11-9/h2-4,6-7,13H,1,5H2
InChIKeyFLWAFMHCWCFZLL-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-hydroxyindazole
CID 119091474
1-hydroxy-3-(trifluoromethyl)indazole
CID 137437749
3-ethynyl-1-hydroxyindazole
CID 137437631
1-hydroxy-N-propan-2-ylindazol-3-amine
CID 166796836
9-(3-carbazol-9-yl-5-prop-2-enylphenyl)carbazole
CID 139517953
(4-prop-2-enylnaphthalen-1-yl)methanol
CID 177415182
3-amino-1-(1-methylindazol-3-yl)hex-5-en-2-one
CID 116606953
1-(1-methylindazol-3-yl)-3-(prop-2-enylamino)propan-2-one
CID 116589787
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
prop-2-enylbenzene;silicic acid;sulfane
CID 174871791
1-(2-prop-2-enylphenyl)indazole
CID 102233917
1-but-3-enylindazole-3-carboxylic acid
CID 18695576

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-prop-2-enylindazole?
The IUPAC name of 1-hydroxy-3-prop-2-enylindazole (CID 141361641) is 1-hydroxy-3-prop-2-enylindazole.
What is the SMILES notation for 1-hydroxy-3-prop-2-enylindazole?
The canonical SMILES for 1-hydroxy-3-prop-2-enylindazole is C=CCc1nn(O)c2ccccc12.
What is the InChIKey of 1-hydroxy-3-prop-2-enylindazole?
The InChIKey is FLWAFMHCWCFZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-5-9-8-6-3-4-7-10(8)12(13)11-9/h2-4,6-7,13H,1,5H2.
What are the key properties of 1-hydroxy-3-prop-2-enylindazole?
1-hydroxy-3-prop-2-enylindazole has a molecular weight of 174.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-prop-2-enylindazole is sourced from PubChem (CID 141361641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).